6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine

C12H12N4 — CID 1133285

IUPAC6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine
SMILESCc1cc2cc3c(N)[nH]nc3nc2cc1C
InChIInChI=1S/C12H12N4/c1-6-3-8-5-9-11(13)15-16-12(9)14-10(8)4-7(6)2/h3-5H,1-2H3,(H3,13,14,15,16)
InChIKeyXSYYLQJMAAYYFC-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.31
Rot. Bonds

About 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine

6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine (PubChem CID 1133285) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine.

Molecular Properties

Compound Name6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine
PubChem CID1133285
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine
SMILESCc1cc2cc3c(N)[nH]nc3nc2cc1C
InChIInChI=1S/C12H12N4/c1-6-3-8-5-9-11(13)15-16-12(9)14-10(8)4-7(6)2/h3-5H,1-2H3,(H3,13,14,15,16)
InChIKeyXSYYLQJMAAYYFC-UHFFFAOYSA-N
XLogP2.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
The IUPAC name of 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine (CID 1133285) is 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine.
What is the SMILES notation for 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
The canonical SMILES for 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine is Cc1cc2cc3c(N)[nH]nc3nc2cc1C.
What is the InChIKey of 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
The InChIKey is XSYYLQJMAAYYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-6-3-8-5-9-11(13)15-16-12(9)14-10(8)4-7(6)2/h3-5H,1-2H3,(H3,13,14,15,16).
What are the key properties of 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine has a molecular weight of 212.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine is sourced from PubChem (CID 1133285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).